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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50437334'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437334
PNG
(CHEMBL2407825)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ccnn2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-20-28(35)25(29(36)22(24)2)14-18-34-19-17-32-33-34/h10-11,17,19,21,25-29,35-37H,2,6-9,12-16,18,20H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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PC cid
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Article
PubMed
n/an/an/an/a 0.210n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair